Repositories list

• UniParser-Tools

  Public
  Jupyter Notebook

  •22 forks•1212 stars•00 issues•00 pull requests•Updated Apr 24, 2026Apr 24, 2026

• Uni-Dock2

  Public
  GPU-accelerated molecular docking software: Uni-Dock 2

  C++

  •

  Apache License 2.0

  •1818 forks•5050 stars•44 issues•00 pull requests•Updated Apr 23, 2026Apr 23, 2026

• Uni-Dock

  Public
  Uni-Dock: a GPU-accelerated molecular docking program

  dockingvirtualscreeningunidock

  dockingvirtualscreeningunidock

  C++

  •

  Apache License 2.0

  •5959 forks•291291 stars•4646 issues•77 pull requests•Updated Apr 20, 2026Apr 20, 2026

• dflow

  Public
  Python

  •

  GNU Lesser General Public License v3.0

  •4747 forks•4545 stars•00 issues•55 pull requests•Updated Apr 13, 2026Apr 13, 2026

• Uni-Dock-Benchmarks

  Public
  Python

  •

  Apache License 2.0

  •00 forks•00 stars•00 issues•00 pull requests•Updated Apr 13, 2026Apr 13, 2026

• MolParser

  Public
  00 forks•00 stars•00 issues•00 pull requests•Updated Mar 18, 2026Mar 18, 2026

• Uni-Dock-Benchmarks-bak

  Public
  Uni-Dock-Benchmarks contains a curated collection of datasets and benchmarking tests for evaluating the performance and accuracy of the Uni-Dock docking system.…

  Jupyter Notebook

  •

  Apache License 2.0

  •44 forks•1818 stars•11 issue•00 pull requests•Updated Feb 11, 2026Feb 11, 2026

• bohr-agent-sdk

  Public
  Python

  •1515 forks•1515 stars•22 issues•00 pull requests•Updated Feb 6, 2026Feb 6, 2026

• ligandexplorer

  Public
  Python

  •11 fork•44 stars•00 issues•00 pull requests•Updated Feb 3, 2026Feb 3, 2026

• Uni-GBSA

  Public
  An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculation.

  Python

  •

  Apache License 2.0

  •2323 forks•139139 stars•1919 issues•00 pull requests•Updated Jan 13, 2026Jan 13, 2026

• bohrium-openapi-python-sdk

  Public
  bohrium openapi python sdk

  Python

  •1212 forks•33 stars•00 issues•00 pull requests•Updated Nov 3, 2025Nov 3, 2025

• Uni-FEP-Benchmarks

  Public
  Uni-FEP-Benchmarks is a benchmark dataset designed to systematically evaluate Uni-FEP.

  Python

  •

  Apache License 2.0

  •1010 forks•5252 stars•11 issue•00 pull requests•Updated Nov 3, 2025Nov 3, 2025

• adk-python

  Public
  An open-source, code-first Python toolkit for building, evaluating, and deploying sophisticated AI agents with flexibility and control.

  Python

  •

  Apache License 2.0

  •3.3k3.3k forks•00 stars•00 issues•00 pull requests•Updated Aug 13, 2025Aug 13, 2025

• Uni-Core

  Public
  an efficient distributed PyTorch framework

  pytorchdistributed

  pytorchdistributed

  Python

  •

  MIT License

  •4646 forks•159159 stars•1717 issues•55 pull requests•Updated Jul 19, 2025Jul 19, 2025

• material-compute-agent

  Public
  Python

  •11 fork•44 stars•00 issues•00 pull requests•Updated May 28, 2025May 28, 2025

• NAG2G

  Public
  Python

  •

  GNU General Public License v3.0

  •88 forks•1616 stars•44 issues•11 pull request•Updated May 25, 2025May 25, 2025

• TED-Gen

  Public
  TED-GEN: a universal, efficient image generation framework for electron microscopy

  Jupyter Notebook

  •

  Apache License 2.0

  •22 forks•1010 stars•00 issues•00 pull requests•Updated May 7, 2025May 7, 2025

• Uni-3DAR

  Public
  Implementation of paper "Uni-3DAR: Unified 3D Generation and Understanding via Autoregression on Compressed Spatial Tokens"

  machine-learning3d-modelsmolecular-docking+ 1

  machine-learning3d-modelsmolecular-dockinggenerative-ai

  Python

  •

  MIT License

  •1717 forks•150150 stars•22 issues•00 pull requests•Updated Apr 21, 2025Apr 21, 2025

• Uni-pKa

  Public
  The official repository of Uni-pKa

  Python

  •

  Apache License 2.0

  •1515 forks•100100 stars•88 issues•00 pull requests•Updated Apr 1, 2025Apr 1, 2025

• SARDiffuse

  Public
  Python

  •00 forks•11 star•00 issues•00 pull requests•Updated Jan 29, 2025Jan 29, 2025

• XtalNet

  Public
  Python

  •

  GNU General Public License v3.0

  •55 forks•1818 stars•00 issues•00 pull requests•Updated Jan 6, 2025Jan 6, 2025

• Uni-SMART

  Public
  Python

  •

  MIT License

  •77 forks•5252 stars•11 issue•00 pull requests•Updated Oct 16, 2024Oct 16, 2024

• deepmd-pytorch

  Public
  Deprecation - migrated to DeePMD-kit

  Python

  •

  GNU Lesser General Public License v3.0

  •22 forks•1010 stars•11 issue•44 pull requests•Updated Jul 13, 2024Jul 13, 2024

• uni-elf

  Public
  Uni-ELF: A Multi-Level Representation Learning Framework for Electrolyte Formulation Design

  00 forks•66 stars•22 issues•00 pull requests•Updated Jul 8, 2024Jul 8, 2024

• Uni-Fold

  Public
  An open-source platform for developing protein models beyond AlphaFold.

  deep-learningprotein-structurepytorch+ 2

  deep-learningprotein-structurepytorchalphafoldalphafold-multimer

  Python

  •

  Apache License 2.0

  •7979 forks•415415 stars•2222 issues•88 pull requests•Updated Jun 26, 2024Jun 26, 2024

• Uni-MOF

  Public
  Python

  •

  MIT License

  •77 forks•3737 stars•55 issues•00 pull requests•Updated Mar 4, 2024Mar 4, 2024

• Uni-Dock-Dev

  Public archive
  Uni-Dock: a GPU-accelerated molecular docking program

  C++

  •5959 forks•11 star•88 issues•00 pull requests•Updated Feb 29, 2024Feb 29, 2024

• dpgen2

  Public
  Python

  •3838 forks•77 stars•11 issue•00 pull requests•Updated Mar 2, 2023Mar 2, 2023

• flash-attention

  Public
  Fast and memory-efficient exact attention

  C++

  •

  BSD 3-Clause "New" or "Revised" License

  •2.6k2.6k forks•1010 stars•00 issues•00 pull requests•Updated Jan 29, 2023Jan 29, 2023

• dflow-extender

  Public
  Go

  •

  GNU Lesser General Public License v3.0

  •11 fork•11 star•00 issues•00 pull requests•Updated Sep 19, 2022Sep 19, 2022